2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
TL;DR: 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone (CAS 80938-74-5) is a chemical compound with molecular formula C8H9F3O2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-(trifluoromethyl)-3H-pyran-4-one
Also Known As: TOS-BB-0692, 2,2-dimethyl-6-(trifluoromethyl)-2,3-dihydro-4H-pyran-4-one, J1.060.290D, 2,2-dimethyl-6-(trifluoromethyl)-3H-pyran-4-one, 2,2-dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
| Molecular Formula | C8H9F3O2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.2006 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.05547 |
| Heavy Atoms | 13 |
| Complexity | 263.05292 |
Chemical Identifiers
| CAS Number | 80938-74-5 |
|---|---|
| SMILES | CC1(CC(=O)C=C(O1)C(F)(F)F)C |
Product Overview
2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone (CAS 80938-74-5), with molecular formula C8H9F3O2 and molecular weight 194.06 g/mol. IUPAC: 2,2-dimethyl-6-(trifluoromethyl)-3H-pyran-4-one.
Chemical Property Profile of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
Property Insights of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone
The XLogP value of 2.2006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone?
The CAS number of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone is 80938-74-5.
What is the molecular formula of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone?
The molecular formula of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone is C8H9F3O2.
What is the molecular weight of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone?
The molecular weight of 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone is 194.06 g/mol.
Where can I buy 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone?
You can request a quote for 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-6-trifluoromethyl-2,3-dihydro-4-pyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.